methyl 2-{2-[3-(3,4-dichlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(3,4-dichlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-(3,4-dichlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C242-1066 |
| Compound Name: | methyl 2-{2-[3-(3,4-dichlorophenyl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 532.4 |
| Molecular Formula: | C24 H19 Cl2 N3 O5 S |
| Smiles: | Cc1c2C(N(C(N(CC(Nc3ccccc3C(=O)OC)=O)c2sc1C)=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0685 |
| logD: | 5.0601 |
| logSw: | -5.4531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.732 |
| InChI Key: | FDQICXCFOUAWOE-UHFFFAOYSA-N |